2,5-dimethylquinoline-6-carboxylic acid

C12H11NO2 — CID 156863593

IUPAC2,5-dimethylquinoline-6-carboxylic acid
SMILESCc1ccc2c(C)c(C(=O)O)ccc2n1
InChIInChI=1S/C12H11NO2/c1-7-3-4-9-8(2)10(12(14)15)5-6-11(9)13-7/h3-6H,1-2H3,(H,14,15)
InChIKeyBOCLQJHZVNCKSG-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.55
Rot. Bonds1

About 2,5-dimethylquinoline-6-carboxylic acid

2,5-dimethylquinoline-6-carboxylic acid (PubChem CID 156863593) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2,5-dimethylquinoline-6-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethylquinoline-6-carboxylic acid
PubChem CID156863593
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name2,5-dimethylquinoline-6-carboxylic acid
SMILESCc1ccc2c(C)c(C(=O)O)ccc2n1
InChIInChI=1S/C12H11NO2/c1-7-3-4-9-8(2)10(12(14)15)5-6-11(9)13-7/h3-6H,1-2H3,(H,14,15)
InChIKeyBOCLQJHZVNCKSG-UHFFFAOYSA-N
XLogP2.55
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylquinolin-6-yl)ethanone
CID 175626409
2,5,6-trimethylquinoline
CID 13148800
2,3-dimethylterephthalic acid
CID 158313107
6-fluoro-2,5-dimethylquinoline
CID 19868176
2-acetyl-6-methylpyridine-3-carboxylic acid
CID 18320650
8-amino-2-methylquinoline-7-carboxylic acid
CID 62953271
2,9-dimethyl-1,10-phenanthroline-5-carboxylic acid
CID 619875
6-methyl-2-nitrosopyridine-3-carboxylic acid
CID 88758213
2-methoxy-6-methylpyridine-3-carboxylic acid
CID 22494228
7-methyl-1,8-naphthyridine-4-carboxylic acid
CID 12528926
4-carboxy-2-methylquinolin-6-olate
CID 54706535
6-bromo-1-methylnaphthalene-2-carboxylic acid
CID 53420865

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylquinoline-6-carboxylic acid?
The IUPAC name of 2,5-dimethylquinoline-6-carboxylic acid (CID 156863593) is 2,5-dimethylquinoline-6-carboxylic acid.
What is the SMILES notation for 2,5-dimethylquinoline-6-carboxylic acid?
The canonical SMILES for 2,5-dimethylquinoline-6-carboxylic acid is Cc1ccc2c(C)c(C(=O)O)ccc2n1.
What is the InChIKey of 2,5-dimethylquinoline-6-carboxylic acid?
The InChIKey is BOCLQJHZVNCKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-7-3-4-9-8(2)10(12(14)15)5-6-11(9)13-7/h3-6H,1-2H3,(H,14,15).
What are the key properties of 2,5-dimethylquinoline-6-carboxylic acid?
2,5-dimethylquinoline-6-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylquinoline-6-carboxylic acid is sourced from PubChem (CID 156863593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).